4-methoxy-3,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide

C19H26N2O4S2 — CID 30606937

IUPAC4-methoxy-3,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCOCC2)cc1C
InChIInChI=1S/C19H26N2O4S2/c1-14-10-17(11-15(2)19(14)24-3)27(22,23)20-12-18(16-4-9-26-13-16)21-5-7-25-8-6-21/h4,9-11,13,18,20H,5-8,12H2,1-3H3/t18-/m1/s1
InChIKeyHRJCJGUQXNKXCC-GOSISDBHSA-N
MW410.56 g/mol
LogP2.73
Rot. Bonds7

About 4-methoxy-3,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide

4-methoxy-3,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide (PubChem CID 30606937) has the molecular formula C19H26N2O4S2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide
PubChem CID30606937
Molecular FormulaC19H26N2O4S2
Molecular Weight410.56 g/mol
Exact Mass410.13
IUPAC Name4-methoxy-3,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCOCC2)cc1C
InChIInChI=1S/C19H26N2O4S2/c1-14-10-17(11-15(2)19(14)24-3)27(22,23)20-12-18(16-4-9-26-13-16)21-5-7-25-8-6-21/h4,9-11,13,18,20H,5-8,12H2,1-3H3/t18-/m1/s1
InChIKeyHRJCJGUQXNKXCC-GOSISDBHSA-N
XLogP2.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-3-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933173
3-fluoro-4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 30606873
4-bromo-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933137
4-methoxy-3-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
CID 16932942
N-[2,6-dimethyl-4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]acetamide
CID 16933080
N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-4-nitrobenzenesulfonamide
CID 16933141
N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 71796503
2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)propane-1-sulfonamide
CID 16933162
4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
CID 16932940
2-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 30606819
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 30607022
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 16933273

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide (CID 30606937) is 4-methoxy-3,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide is COc1c(C)cc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCOCC2)cc1C.
What is the InChIKey of 4-methoxy-3,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide?
The InChIKey is HRJCJGUQXNKXCC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H26N2O4S2/c1-14-10-17(11-15(2)19(14)24-3)27(22,23)20-12-18(16-4-9-26-13-16)21-5-7-25-8-6-21/h4,9-11,13,18,20H,5-8,12H2,1-3H3/t18-/m1/s1.
What are the key properties of 4-methoxy-3,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide?
4-methoxy-3,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide has a molecular weight of 410.56 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 30606937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).